Geometry & MOs

Info

ID:	191278
PubChem CID:	78124545
Reduced:	ClNSO2H14C17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	403.073512
ΔH_f, kcal/mol:	9.65
Dipole, Da:	4.51
IP(EA), eV:	-9.03(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-3-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethoxy]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)S(=O)C2=CC(=O)N=C3C2C=C(C=C3)Cl)C

DOS

IR

Vibrations